Dimethylformamide → HCID 178494872, compound

HRID 2122394Notes

Reaction equation

HRID 2122394 reaction equation
[C:64](=[O:65])([O-:66])[O-:67].[CH3:52][S:53]([O:54][CH2:57][C:58]1([CH2:61][C:62]#[N:63])[CH2:59][CH2:60]1)(=[O:55])=[O:56].[CH:1]1([N:4]([C:5](=[O:6])[CH:7]2[CH2:8][N:9]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:10][CH2:11][CH:12]2[c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][O:22][c:23]3[c:24]([Cl:31])[cH:25][c:26]([CH3:30])[cH:27][c:28]3[Cl:29])[cH:17][cH:18]2)[CH2:39][c:40]2[cH:41][c:42]([OH:51])[cH:43][c:44]([CH2:46][CH2:47][CH2:48][O:49][CH3:50])[cH:45]2)[CH2:2][CH2:3]1.[Cs+:68].[Cs+:69].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74]>>[CH:1]1([N:4]([C:5](=[O:6])[CH:7]2[CH2:8][N:9]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:10][CH2:11][CH:12]2[c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][O:22][c:23]3[c:24]([Cl:31])[cH:25][c:26]([CH3:30])[cH:27][c:28]3[Cl:29])[cH:17][cH:18]2)[CH2:39][c:40]2[cH:41][c:42]([O:51][CH2:57][C:58]3([CH2:61][C:62]#[N:63])[CH2:59][CH2:60]3)[cH:43][c:44]([CH2:46][CH2:47][CH2:48][O:49][CH3:50])[cH:45]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 18353775(1-(Cyanomethyl)cyclopropyl)methyl MethanesulfonateHCID 178494891HCID 178494891, compound

Product 1

HCID 178494872HCID 178494872, compound

Sources & evidence

ORD record
ord-9736da8615db44678121666c08b5a4bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…